Borophene and Pristine Graphene 2D Sheets as Potential Surfaces for the Adsorption of Electron-Rich and Electron-Deficient π-Systems: A Comparative DFT Study

The versatility of striped borophene (sB), β(12) borophene (β(12)), and pristine graphene (GN) to adsorb π-systems was comparatively assessed using benzene (BNZ) and hexafluorobenzene (HFB) as electron-rich and electron-deficient aromatic π-systems, respectively. Using the density functional theory...

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Detalles Bibliográficos
Autores principales: Ibrahim, Mahmoud A. A., Mahmoud, Amna H. M., Soliman, Kamal A., Mekhemer, Gamal A. H., Ahmed, Muhammad Naeem, Shawky, Ahmed M., Abourehab, Mohammed A. S., Elkaeed, Eslam B., Soliman, Mahmoud E. S., Moussa, Nayra A. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8948930/
https://www.ncbi.nlm.nih.gov/pubmed/35335843
http://dx.doi.org/10.3390/nano12061028

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8948930/
https://www.ncbi.nlm.nih.gov/pubmed/35335843
http://dx.doi.org/10.3390/nano12061028

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